4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one

Systemtic Name: 4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Openeye Name: 4-(3-nitrophenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one CAS Name: 4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one IUPAC Name: 4-(3-nitrophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Traditional Name: 4-(3-nitrophenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C14H13N3O3S/c18-11-6-2-5-10-12(11)13(16-14(21)15-10)8-3-1-4-9(7-8)17(19)20/h1,3-4,7,13H,2,5-6H2,(H2,15,16,21)